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3-ketobutanethioic acid S-tert-butyl ester
SpectraBase Compound ID LUAUKbFeQq4
InChI InChI=1S/C8H14O2S/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChIKey FXOMETKMHQLOHH-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Iu4Qif5RhP
Name Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
CAS Registry Number 15925-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChIKey FXOMETKMHQLOHH-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES CC(=O)CC(=O)SC(C)(C)C
SPLASH splash10-0a4i-9000000000-77d4af433f5200e0f370
Source of Spectrum J-45-2771-0
Synonyms S-(tert-Butyl) 3-oxobutanethioate 3-ketobutanethioic acid S-tert-butyl ester 3-Oxobutanethioic acid S-tert-butyl ester Acetoacetic acid, 1-thio-, S-tert-butyl ester S-tert-butyl 3-oxidanylidenebutanethioate S-tert-Butyl 3-oxothiobutyrate S-tert-Butyl acetothioacetate tert-Butyl acetothiolacetate
Wiley ID 1170220